SCHEMBL4683677

SCHEMBL4683677

CCOc1cc(NC(=O)NC(CC)C(C)I)ccc1Oc1ccc(NC(=O)c2ccc(CN3CCN(CC)CC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
MAPK14 Q16539 1/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TNF P01375 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4233484 0.91 CACNA1B (0.52) CACNA1BAPBA1SAE1UBA2MAPK14
SCHEMBL4686962 0.83 CACNA1B (0.51) CACNA1BAPBA1SAE1UBA2MAPK14
SCHEMBL4689202 0.82 SMN1; SMN2 (0.40) LMNASMN1; SMN2KMT2AHSD17B10MAPT
SCHEMBL4236949 0.81 KMT2A (0.52) RAB9ANPC1LMNASMN1; SMN2KMT2A
SCHEMBL4232732 0.80 MCHR1 (0.44) CACNA1BAPBA1SAE1UBA2RAB9A
SCHEMBL4240328 0.79 LTA4H (0.51) CACNA1BAPBA1SAE1UBA2RAB9A
SCHEMBL4234367 0.77 SSTR5 (0.42) CACNA1BAPBA1SAE1UBA2KMT2A
SCHEMBL4687213 0.77 MCHR1 (0.42) RAB9ANPC1LMNASMN1; SMN2KMT2A
SCHEMBL4238693 0.77 CHRM4 (0.47) CACNA1BAPBA1SAE1UBA2RAB9A
SCHEMBL4228379 0.76 MCHR1 (0.41) CACNA1BAPBA1SAE1UBA2MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed